Verbascosaponin
TL;DR: Verbascosaponin (CAS 74163-66-9) is a chemical compound with molecular formula C54H88O21 and molecular weight 1072.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[[(4S,5R,8R,9R,10S,13S,14R,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Verbascosaponin, (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[[(4S,5R,8R,9R,10S,13S,14R,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
| Molecular Formula | C54H88O21 |
|---|---|
| Molecular Weight | 1072.58 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1072.5818 |
| Heavy Atoms | 75 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 74163-66-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@@H](C([C@@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@H]([C@]5(C)CO)CC[C@@]7([C@@H]6C=CC89[C@]7(CCC1([C@H]8CC(CC1)(C)C)CO9)C)C)C)C)O)CO)O)O)O |
| InChIKey | FFKHYLGULXFXII-PYSZZYHCSA-N |
Product Overview
Verbascosaponin (CAS 74163-66-9), with molecular formula C54H88O21 and molecular weight 1072.58 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[[(4S,5R,8R,9R,10S,13S,14R,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Verbascosaponin
Property Insights of Verbascosaponin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verbascosaponin. The TPSA of 326.0 Ų indicates high polarity, suggesting Verbascosaponin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Verbascosaponin has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Verbascosaponin?
The CAS number of Verbascosaponin is 74163-66-9.
What is the molecular formula of Verbascosaponin?
The molecular formula of Verbascosaponin is C54H88O21.
What is the molecular weight of Verbascosaponin?
The molecular weight of Verbascosaponin is 1072.58 g/mol.
Where can I buy Verbascosaponin?
You can request a quote for Verbascosaponin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verbascosaponin?
Yes, KEHONG BIO provides custom synthesis services for Verbascosaponin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.